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CHEBI:216188 - Dicitrinone B

ChEBI IDCHEBI:216188
ChEBI NameDicitrinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O6
Net Charge0
Average Mass438.520
Monoisotopic Mass438.20424
SMILESCC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(C(C)C2=C(O)C(C)=C3C(=CO[C@H](C)[C@H]3C)C2=O)=C1O
InChIInChI=1S/C26H30O6/c1-10-15(6)31-8-17-19(10)13(4)23(27)21(25(17)29)12(3)22-24(28)14(5)20-11(2)16(7)32-9-18(20)26(22)30/h8-12,15-16,27-28H,1-7H3/t10-,11-,15-,16-/m1/s1
InChIKeyWUZQRRXRWONUET-HOJOPBEUSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1016/j.tet.2010.09.036)
ChEBI Ontology
Outgoing Relation(s)
Dicitrinone B (CHEBI:216188) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S)-6-hydroxy-7-[1-[(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromen-7-yl]ethyl]-3,4,5-trimethyl-3,4-dihydroisochromen-8-one
Manual XrefsDatabases
78438110ChemSpider